CHEBI:67773 - rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester

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ChEBI Name rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester
ChEBI ID CHEBI:67773
Definition A natural product found in Laurencia marilzae.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H22BrClO5
Net Charge 0
Average Mass 409.70000
Monoisotopic Mass 408.03391
InChI InChI=1S/C16H22BrClO5/c1-8-16-14(23-16)6-10(17)12-7-11(18)13(22-12)5-9(21-8)3-4-15(19)20-2/h3-4,8-14,16H,5-7H2,1-2H3/b4-3+/t8-,9-,10-,11+,12-,13+,14+,16+/m0/s1
InChIKey NZBKCNQQOBHOFJ-VERMWBLASA-N
SMILES [H][C@@]12C[C@@H](O[C@@H](C)[C@@]3([H])O[C@]3([H])C[C@H](Br)[C@]([H])(C[C@H]1Cl)O2)\C=C\C(=O)OC
Metabolite of Species Details
Laurencia marilzae (NCBI:txid99905) CH2Cl2/MeOH(1:1,v/v) extract of fresh alga See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester )
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ChEBI Ontology
Outgoing rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester (CHEBI:67773) has role metabolite (CHEBI:25212)
rel-3-((1S,2S,4R,6R,7S,9R,11R,12R)-2-Bromo-12-chloro-7-methyl-5,8,14-trioxa-tricyclo[9.2.1.0[4,6]]tetradec-9-yl)-acrylic acid methyl ester (CHEBI:67773) is a fatty acid ester (CHEBI:35748)
Citation Waiting for Citations Type Source
21338119 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:enoate ester(CHEBI:51702); ISA:carboxylic ester(CHEBI:33308); ISA:epoxide(CHEBI:32955); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:organonitrogen compound(CHEBI:35352); ISA:organobromine compound(CHEBI:37141); ISA:organochlorine compound(CHEBI:36683); ISA:carbonyl compound(CHEBI:36586);